%chk=000238647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238647

0 1
Br 7.260617 -1.684901 -0.651319
O -1.545308 -0.236278 2.284762
N 1.904754 1.258730 -0.634056
N 1.862113 2.847648 2.395814
C -0.985317 -0.230992 0.961813
C 0.562237 -0.115520 1.057952
C 0.937513 1.284126 0.488203
C -1.429977 1.047476 0.223661
C -0.387433 1.861220 -0.007365
C -1.431204 -1.523741 0.315916
C -2.831235 1.284853 -0.126635
C 1.469772 2.159323 1.557809
C -1.382360 -1.661785 -1.079094
C -1.869000 -2.591608 1.110487
C 3.114299 0.522062 -0.588507
C -3.157170 2.109888 -1.218802
C -3.863931 0.693759 0.623180
C -1.769100 -2.865798 -1.672548
C -2.256263 -3.793527 0.511014
C 3.741149 0.219067 -1.822334
C 3.737604 0.155224 0.621635
C -2.205432 -3.932633 -0.879160
C -4.494349 2.342159 -1.548352
C -5.198332 0.933113 0.290435
C -5.516559 1.756988 -0.794250
C 4.973325 -0.428426 -1.835818
C 4.971844 -0.495074 0.597386
C 5.578478 -0.785882 -0.626411
H 1.057435 -0.929295 0.494862
H 0.892259 -0.259790 2.102349
H -0.401760 2.839054 -0.465470
H 1.466187 1.327385 -1.555471
H -1.353000 0.606715 2.750708
H -1.051931 -0.831930 -1.701322
H -1.910770 -2.474848 2.196400
H -2.368894 2.566484 -1.814590
H -3.616934 0.042681 1.468759
H -1.732937 -2.972937 -2.755452
H -2.597729 -4.621872 1.130078
H 3.273922 0.500258 -2.763132
H 3.284965 0.389618 1.581867
H -2.506289 -4.869762 -1.344846
H -4.740810 2.981226 -2.395036
H -5.993078 0.473751 0.877171
H -6.558401 1.941099 -1.052198
H 5.457715 -0.655320 -2.787932
H 5.455115 -0.770686 1.537637


%chk=000238647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238647

0 1
Br 7.849632 -0.990287 -0.523073
O -1.368837 -0.210011 2.297846
N 2.020006 1.125024 -0.726424
N 1.681875 2.393961 2.543392
C -1.009572 -0.378042 0.866668
C 0.542762 -0.422471 0.682472
C 0.990325 1.041210 0.314585
C -1.418829 0.892199 0.084620
C -0.320967 1.658214 -0.183550
C -1.665988 -1.680678 0.403490
C -2.821674 1.239932 -0.229742
C 1.400753 1.790166 1.551816
C -1.755435 -1.963010 -0.982592
C -2.132079 -2.637088 1.335877
C 3.334512 0.638394 -0.640165
C -3.126726 2.103286 -1.319693
C -3.893087 0.723002 0.551167
C -2.306373 -3.182158 -1.430882
C -2.681482 -3.859611 0.886293
C 4.202216 0.807203 -1.758437
C 3.839107 -0.020412 0.516222
C -2.770646 -4.137537 -0.496424
C -4.460522 2.450206 -1.614247
C -5.226967 1.072274 0.254781
C -5.517857 1.936530 -0.826070
C 5.526989 0.331804 -1.728289
C 5.166704 -0.497150 0.548457
C 6.001625 -0.321576 -0.571314
H 0.808932 -1.065069 -0.172432
H 1.016264 -0.830635 1.589660
H -0.331761 2.669177 -0.602625
H 1.769533 1.661160 -1.556611
H -0.926978 0.606777 2.647244
H -1.404861 -1.224129 -1.714143
H -2.065477 -2.411846 2.403533
H -2.317171 2.483977 -1.953410
H -3.668630 0.067863 1.397771
H -2.375630 -3.386702 -2.505116
H -3.038959 -4.594222 1.616665
H 3.837480 1.313938 -2.660393
H 3.216897 -0.154661 1.404438
H -3.197418 -5.085189 -0.843451
H -4.678154 3.111079 -2.460545
H -6.040598 0.670542 0.868378
H -6.555439 2.202636 -1.056192
H 6.177919 0.470321 -2.596337
H 5.540387 -0.997089 1.446578


